SCHEMBL7768536

SCHEMBL7768536

O=C(NC(CO)(CO)CO)C(O)C(O)C(=O)NC(CO)(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.38
HRH3 Q9Y5N1 1/20 0.32
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7768540 1.00 MEN1 (0.42) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL7767025 0.90 MEN1 (0.34) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL4418217 0.86 PDE4A (0.35) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL3168963 0.86 PDE4A (0.35) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL16176158 0.80 MEN1 (0.38) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL9444633 0.80 PDE4A (0.48) USP2KDM4EL3MBTL1
SCHEMBL221668 0.77 HRH3 (0.34) ALDH1A1KMT2AHRH3PTGS1KCNH2
SCHEMBL14524268 0.77 KDM4E (0.33) ALDH1A1HRH3KDM4EGLAL3MBTL1
SCHEMBL13426840 0.77 MEN1 (0.41) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL9769659 0.73 HRH3 (0.33) USP2HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
US-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed